BDBM50304193 CHEMBL593221::N-[4-(Benzo[d]thiazol-2''-yl)-2-hydroxyphenyl]-6'-methoxy-7'-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4'-amine

SMILES: COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1

InChI Key: InChIKey=DCKMTGBFLNPJPS-UHFFFAOYSA-N

Data: 8 IC50  4 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50304193   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aurora kinase B (Homo sapiens (Human))	BDBM50304193 (CHEMBL593221 | N-[4-(Benzo[d]thiazol-2''-yl)-2-hyd...) Show SMILES COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-22(18-27(28)39-3)30(33-20-32-25)34-23-10-9-21(17-26(23)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of Aurora-B by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50304193 (CHEMBL593221 | N-[4-(Benzo[d]thiazol-2''-yl)-2-hyd...) Show SMILES COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-22(18-27(28)39-3)30(33-20-32-25)34-23-10-9-21(17-26(23)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of VEGFR3 by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50304193 (CHEMBL593221 | N-[4-(Benzo[d]thiazol-2''-yl)-2-hyd...) Show SMILES COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-22(18-27(28)39-3)30(33-20-32-25)34-23-10-9-21(17-26(23)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of EGFR in human HCT116 cells by cellular phosphorylation assay				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Angiopoietin-1 receptor (Homo sapiens (Human))	BDBM50304193 (CHEMBL593221 | N-[4-(Benzo[d]thiazol-2''-yl)-2-hyd...) Show SMILES COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-22(18-27(28)39-3)30(33-20-32-25)34-23-10-9-21(17-26(23)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of TIE2 in human HCT116 cells by cellular phosphorylation assay				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50304193 (CHEMBL593221 | N-[4-(Benzo[d]thiazol-2''-yl)-2-hyd...) Show SMILES COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-22(18-27(28)39-3)30(33-20-32-25)34-23-10-9-21(17-26(23)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of VEGFR3 in human HCT116 cells by cellular phosphorylation assay				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50304193 (CHEMBL593221 | N-[4-(Benzo[d]thiazol-2''-yl)-2-hyd...) Show SMILES COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-22(18-27(28)39-3)30(33-20-32-25)34-23-10-9-21(17-26(23)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of wild type EGF-R by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50304193 (CHEMBL593221 | N-[4-(Benzo[d]thiazol-2''-yl)-2-hyd...) Show SMILES COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-22(18-27(28)39-3)30(33-20-32-25)34-23-10-9-21(17-26(23)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of Aurora-A by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50304193 (CHEMBL593221 | N-[4-(Benzo[d]thiazol-2''-yl)-2-hyd...) Show SMILES COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-22(18-27(28)39-3)30(33-20-32-25)34-23-10-9-21(17-26(23)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of VEGFR2 by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Angiopoietin-1 receptor (Homo sapiens (Human))	BDBM50304193 (CHEMBL593221 | N-[4-(Benzo[d]thiazol-2''-yl)-2-hyd...) Show SMILES COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-22(18-27(28)39-3)30(33-20-32-25)34-23-10-9-21(17-26(23)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of TIE2 by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50304193 (CHEMBL593221 | N-[4-(Benzo[d]thiazol-2''-yl)-2-hyd...) Show SMILES COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-22(18-27(28)39-3)30(33-20-32-25)34-23-10-9-21(17-26(23)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of ERBB2 by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50304193 (CHEMBL593221 | N-[4-(Benzo[d]thiazol-2''-yl)-2-hyd...) Show SMILES COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-22(18-27(28)39-3)30(33-20-32-25)34-23-10-9-21(17-26(23)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50304193 (CHEMBL593221 | N-[4-(Benzo[d]thiazol-2''-yl)-2-hyd...) Show SMILES COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-22(18-27(28)39-3)30(33-20-32-25)34-23-10-9-21(17-26(23)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of Aurora-B in human HCT116 cells by cellular proliferation assay				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair